| Compound Information | SONAR Target prediction |
| Name: | (+,-)-Octopamine hydrochloride |
| Unique Identifier: | Prest1148 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C8ClH12NO2 |
| Molecular Weight: | 177.544 g/mol |
| X log p: | 7.337 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 0 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | Cl.NCC(O)c1ccc(O)cc1 |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 871.0000±0 |
| Normalized OD Score: sc h | 1.0641±0 |
| Z-Score: | 1.4448±0 |
| p-Value: | 0.148522 |
| Z-Factor: | -17.6333 |
| Fitness Defect: | 1.907 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 4581 | 4-(2-amino-1-hydroxy-ethyl)phenol |
| 20592 | [2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium chloride |
| 102484 | 4-(2-amino-1-hydroxy-ethyl)phenol hydrochloride |
| 440266 | 4-[(1R)-2-amino-1-hydroxy-ethyl]phenol |
| 448337 | 4-[(1S)-2-amino-1-hydroxy-ethyl]phenol |
| 657354 | 4-(2-amino-1-hydroxy-ethyl)phenol; hydrogen(+1) cation; chloride |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 15753 | Additional Members: 7 | Rows returned: 2 |
| SPE01500639 | 0.454545454545455 |
| SPE01500436 | 0 |
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